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CHEBI:67372 - (2R,3R)-3-hydroxy-5-methoxy-6,7- methylenedioxyflavanone

ChEBI IDCHEBI:67372
ChEBI Name(2R,3R)-3-hydroxy-5-methoxy-6,7- methylenedioxyflavanone
Stars
ASCII Name(2R,3R)-3-hydroxy-5-methoxy-6,7- methylenedioxyflavanone
DefinitionAn extended flavonoid that consists of (2S)-flavanone substituted by a hydroxy group at position 3, a methoxy group at position 5 and a methylenedioxy group across positions 6 and 7. It has been isolated from Pisonia aculeata.
Last Modified6 February 2018
DownloadsMolfile
FormulaC17H14O6
Net Charge0
Average Mass314.293
Monoisotopic Mass314.07904
SMILESCOc1c2c(cc3c1C(=O)[C@H](O)[C@@H](c1ccccc1)O3)OCO2
InChIInChI=1S/C17H14O6/c1-20-17-12-10(7-11-16(17)22-8-21-11)23-15(14(19)13(12)18)9-5-3-2-4-6-9/h2-7,14-15,19H,8H2,1H3/t14-,15+/m0/s1
InChIKeyMJAIKSJQFBNFDU-LSDHHAIUSA-N
Species of MetaboliteComponentSourceComments
Pisonia aculeata (ncbitaxon:363212)
stem (BTO:0001300) PubMed (21542597) Cold methanolic extract of dried stems and roots
root (BTO:0001188) PubMed (21542597) Cold methanolic extract of dried stems and roots
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(2R,3R)-3-hydroxy-5-methoxy-6,7- methylenedioxyflavanone (CHEBI:67372) has role plant metabolite (CHEBI:76924)
(2R,3R)-3-hydroxy-5-methoxy-6,7- methylenedioxyflavanone (CHEBI:67372) is a dihydroflavonols (CHEBI:48039)
(2R,3R)-3-hydroxy-5-methoxy-6,7- methylenedioxyflavanone (CHEBI:67372) is a extended flavonoid (CHEBI:71037)
(2R,3R)-3-hydroxy-5-methoxy-6,7- methylenedioxyflavanone (CHEBI:67372) is a monomethoxyflavanone (CHEBI:38738)
(2R,3R)-3-hydroxy-5-methoxy-6,7- methylenedioxyflavanone (CHEBI:67372) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(6R,7R)-7-hydroxy-9-methoxy-6-phenyl-6,7-dihydro-8H-[1,3]dioxolo[4,5-g]chromen-8-one
Registry NumbersSources
Reaxys:5605978Reaxys
Citations